(5-chlorothiophen-2-yl)-[3-(1-methylpyrrol-2-yl)morpholin-4-yl]methanone

C14H15ClN2O2S — CID 86794066

IUPAC(5-chlorothiophen-2-yl)-[3-(1-methylpyrrol-2-yl)morpholin-4-yl]methanone
SMILESCn1cccc1C1COCCN1C(=O)c1ccc(Cl)s1
InChIInChI=1S/C14H15ClN2O2S/c1-16-6-2-3-10(16)11-9-19-8-7-17(11)14(18)12-4-5-13(15)20-12/h2-6,11H,7-9H2,1H3
InChIKeyUPLYONPNVQOUIM-UHFFFAOYSA-N
MW310.81 g/mol
LogP2.95
Rot. Bonds2

About (5-chlorothiophen-2-yl)-[3-(1-methylpyrrol-2-yl)morpholin-4-yl]methanone

(5-chlorothiophen-2-yl)-[3-(1-methylpyrrol-2-yl)morpholin-4-yl]methanone (PubChem CID 86794066) has the molecular formula C14H15ClN2O2S and a molecular weight of 310.81 g/mol. Its IUPAC name is (5-chlorothiophen-2-yl)-[3-(1-methylpyrrol-2-yl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name(5-chlorothiophen-2-yl)-[3-(1-methylpyrrol-2-yl)morpholin-4-yl]methanone
PubChem CID86794066
Molecular FormulaC14H15ClN2O2S
Molecular Weight310.81 g/mol
Exact Mass310.05
IUPAC Name(5-chlorothiophen-2-yl)-[3-(1-methylpyrrol-2-yl)morpholin-4-yl]methanone
SMILESCn1cccc1C1COCCN1C(=O)c1ccc(Cl)s1
InChIInChI=1S/C14H15ClN2O2S/c1-16-6-2-3-10(16)11-9-19-8-7-17(11)14(18)12-4-5-13(15)20-12/h2-6,11H,7-9H2,1H3
InChIKeyUPLYONPNVQOUIM-UHFFFAOYSA-N
XLogP2.95
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.81
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-[3-(1-methylpyrrol-2-yl)morpholine-4-carbonyl]thiophen-3-yl]ethanone
CID 86794099
(4-ethyl-5-propylthiophen-2-yl)-[3-(1-methylpyrrol-2-yl)morpholin-4-yl]methanone
CID 75523575
[3-(1-methylpyrrol-2-yl)morpholin-4-yl]-(3-methylthiophen-2-yl)methanone
CID 86794107
(3S)-4-(5-chlorothiophene-2-carbonyl)morpholine-3-carboxylic acid
CID 124513737
[3-(1-methylpyrrol-2-yl)morpholin-4-yl]-(1H-pyrazol-5-yl)methanone
CID 86794071
imidazo[1,2-a]pyridin-7-yl-[(3S)-3-(1-methylpyrrol-2-yl)morpholin-4-yl]methanone
CID 99617785
6-[3-(1-methylpyrrol-2-yl)morpholine-4-carbonyl]-3,4-dihydro-1H-quinolin-2-one
CID 86794079
1-[3-(1-methylpyrrol-2-yl)morpholin-4-yl]-3-pyrazol-1-ylpropan-1-one
CID 75508325
(2R)-2-(2,3-dihydroindol-1-yl)-1-[(3S)-3-(1-methylpyrrol-2-yl)morpholin-4-yl]propan-1-one
CID 99825605
(6-bromo-4-fluoro-1H-indol-2-yl)-[3-(1-methylpyrrol-2-yl)morpholin-4-yl]methanone
CID 139004982
N-(2-chlorophenyl)-2-[(3R)-3-(1-methylpyrrol-2-yl)morpholin-4-yl]acetamide
CID 99631648
N-(2-chlorophenyl)-2-[3-(1-methylpyrrol-2-yl)morpholin-4-yl]acetamide
CID 86803809

Frequently Asked Questions

What is the IUPAC name of (5-chlorothiophen-2-yl)-[3-(1-methylpyrrol-2-yl)morpholin-4-yl]methanone?
The IUPAC name of (5-chlorothiophen-2-yl)-[3-(1-methylpyrrol-2-yl)morpholin-4-yl]methanone (CID 86794066) is (5-chlorothiophen-2-yl)-[3-(1-methylpyrrol-2-yl)morpholin-4-yl]methanone.
What is the SMILES notation for (5-chlorothiophen-2-yl)-[3-(1-methylpyrrol-2-yl)morpholin-4-yl]methanone?
The canonical SMILES for (5-chlorothiophen-2-yl)-[3-(1-methylpyrrol-2-yl)morpholin-4-yl]methanone is Cn1cccc1C1COCCN1C(=O)c1ccc(Cl)s1.
What is the InChIKey of (5-chlorothiophen-2-yl)-[3-(1-methylpyrrol-2-yl)morpholin-4-yl]methanone?
The InChIKey is UPLYONPNVQOUIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O2S/c1-16-6-2-3-10(16)11-9-19-8-7-17(11)14(18)12-4-5-13(15)20-12/h2-6,11H,7-9H2,1H3.
What are the key properties of (5-chlorothiophen-2-yl)-[3-(1-methylpyrrol-2-yl)morpholin-4-yl]methanone?
(5-chlorothiophen-2-yl)-[3-(1-methylpyrrol-2-yl)morpholin-4-yl]methanone has a molecular weight of 310.81 g/mol, XLogP of 2.95, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chlorothiophen-2-yl)-[3-(1-methylpyrrol-2-yl)morpholin-4-yl]methanone is sourced from PubChem (CID 86794066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).